Information card for entry 2223257

Structure parameters

• Chemical name: <i>N</i>,<i>N</i>'-Bis(1-acetylcyclohexyl)-1,8:4,5-naphthalenetetracarboximide
• Formula: C30 H30 N2 O6
• Calculated formula: C30 H30 N2 O6
• SMILES: CC(=O)C1(CCCCC1)N1C(=O)c2ccc3c4c2c(C1=O)ccc4C(=O)N(C3=O)C1(CCCCC1)C(=O)C
• Title of publication: <i>N</i>,<i>N</i>'-Bis(1-acetylcyclohexyl)-1,8:4,5-naphthalenetetracarboximide
• Authors of publication: Gondo, Chenaimwoyo A.; Lynch, Daniel E.; Hamilton, Darren G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: o2184
• a: 5.8553 ± 0.0002 Å
• b: 13.6603 ± 0.0006 Å
• c: 15.282 ± 0.0006 Å
• α: 90°
• β: 94.001 ± 0.002°
• γ: 90°
• Cell volume: 1219.35 ± 0.08 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0755
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1418
• Weighted residual factors for all reflections included in the refinement: 0.15
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes